1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one

C11H22N2O — CID 96581965

IUPAC1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1N
InChIInChI=1S/C11H22N2O/c1-4-9-7-13(6-5-10(9)12)11(14)8(2)3/h8-10H,4-7,12H2,1-3H3/t9-,10+/m1/s1
InChIKeyZYYCVMDMNLXMPG-ZJUUUORDSA-N
MW198.31 g/mol
LogP1.23
Rot. Bonds2

About 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one

1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 96581965) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
PubChem CID96581965
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1N
InChIInChI=1S/C11H22N2O/c1-4-9-7-13(6-5-10(9)12)11(14)8(2)3/h8-10H,4-7,12H2,1-3H3/t9-,10+/m1/s1
InChIKeyZYYCVMDMNLXMPG-ZJUUUORDSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S,4R)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581968
1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 131320738
4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260
4-amino-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 81458117
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one
CID 96581961
4-amino-N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 81456883
1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 114449206
2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 81459438
1-(4-amino-3-ethylpiperidin-1-yl)prop-2-yn-1-one
CID 81456843
2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 90077533
1-(4-amino-3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one
CID 81458526
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one (CID 96581965) is 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one is CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1N.
What is the InChIKey of 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is ZYYCVMDMNLXMPG-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-9-7-13(6-5-10(9)12)11(14)8(2)3/h8-10H,4-7,12H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one?
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 96581965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).